2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C19H28FN3O3 — CID 95907538

IUPAC2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C(C)=O)C(C)C
InChIInChI=1S/C19H28FN3O3/c1-5-23(12-18(26)22-19(13(2)3)14(4)24)11-17(25)21-10-15-6-8-16(20)9-7-15/h6-9,13,19H,5,10-12H2,1-4H3,(H,21,25)(H,22,26)/t19-/m1/s1
InChIKeyPHHVWKUTFALILU-LJQANCHMSA-N
MW365.45 g/mol
LogP1.49
Rot. Bonds10

About 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 95907538) has the molecular formula C19H28FN3O3 and a molecular weight of 365.45 g/mol. Its IUPAC name is 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID95907538
Molecular FormulaC19H28FN3O3
Molecular Weight365.45 g/mol
Exact Mass365.21
IUPAC Name2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C(C)=O)C(C)C
InChIInChI=1S/C19H28FN3O3/c1-5-23(12-18(26)22-19(13(2)3)14(4)24)11-17(25)21-10-15-6-8-16(20)9-7-15/h6-9,13,19H,5,10-12H2,1-4H3,(H,21,25)(H,22,26)/t19-/m1/s1
InChIKeyPHHVWKUTFALILU-LJQANCHMSA-N
XLogP1.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

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Related Compounds

2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
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2-[ethyl-[(4-fluorophenyl)methyl]amino]-N-propan-2-ylacetamide
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2-[ethyl-[2-oxo-2-(propylcarbamoylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
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2-[[2-(4-bromoanilino)-2-oxoethyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201213
2-[ethyl-[[3-(hydroxymethyl)oxetan-3-yl]methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 111976581
2-[ethyl-[(3-fluoro-4-methoxyphenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9349212
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
(2S)-2-acetamido-N-[(4-fluorophenyl)methyl]-3-methylbutanamide
CID 7478812
2-amino-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-methylbutanamide;hydrochloride
CID 119291044
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 106615509
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 95907538) is 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@@H](C(C)=O)C(C)C.
What is the InChIKey of 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is PHHVWKUTFALILU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H28FN3O3/c1-5-23(12-18(26)22-19(13(2)3)14(4)24)11-17(25)21-10-15-6-8-16(20)9-7-15/h6-9,13,19H,5,10-12H2,1-4H3,(H,21,25)(H,22,26)/t19-/m1/s1.
What are the key properties of 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 365.45 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 95907538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).